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Chemical ID: 5988358
Chemical ID:
5988358
Name [?]:
1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]pentan-1-one
SMILES [?]:
CCCCC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl
InChi [?]:
InChI=1/C18H22ClN3O2/c1-2-3-10-16(23)22-11-5-4-9-15(22)18-20-17(21-24-18)13-7-6-8-14(19)12-13/h6-8,12,15H,2-5,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,10,9,20,19,21,11,4,8,23,18,22,12,5,15,13,24,14,16,7,6,17/rA:24cCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22ClN3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2548 |
Area: | 560.832 |
Solvation: | -2.766 |
Coulombic: | -29.6229 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 347.839 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.68 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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